4-amino-N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-3-methoxybutanamide

C15H17F2N3O2S — CID 120587826

IUPAC4-amino-N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-3-methoxybutanamide
SMILESCOC(CN)CC(=O)Nc1ncc(Cc2ccc(F)c(F)c2)s1
InChIInChI=1S/C15H17F2N3O2S/c1-22-10(7-18)6-14(21)20-15-19-8-11(23-15)4-9-2-3-12(16)13(17)5-9/h2-3,5,8,10H,4,6-7,18H2,1H3,(H,19,20,21)
InChIKeyYQJLCRUIVARISJ-UHFFFAOYSA-N
MW341.38 g/mol
LogP2.31
Rot. Bonds7

About 4-amino-N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-3-methoxybutanamide

4-amino-N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-3-methoxybutanamide (PubChem CID 120587826) has the molecular formula C15H17F2N3O2S and a molecular weight of 341.38 g/mol. Its IUPAC name is 4-amino-N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-3-methoxybutanamide.

Molecular Properties

Compound Name4-amino-N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-3-methoxybutanamide
PubChem CID120587826
Molecular FormulaC15H17F2N3O2S
Molecular Weight341.38 g/mol
Exact Mass341.10
IUPAC Name4-amino-N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-3-methoxybutanamide
SMILESCOC(CN)CC(=O)Nc1ncc(Cc2ccc(F)c(F)c2)s1
InChIInChI=1S/C15H17F2N3O2S/c1-22-10(7-18)6-14(21)20-15-19-8-11(23-15)4-9-2-3-12(16)13(17)5-9/h2-3,5,8,10H,4,6-7,18H2,1H3,(H,19,20,21)
InChIKeyYQJLCRUIVARISJ-UHFFFAOYSA-N
XLogP2.31
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-methoxybutanamide
CID 120587828
4-amino-3-methoxy-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]butanamide
CID 120587824
4-amino-N-[5-[(3-bromophenyl)methyl]-1,3-thiazol-2-yl]-3-methoxybutanamide;hydrochloride
CID 120590420
N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-methoxyphenoxy)acetamide
CID 86920219
N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-3-methyl-2-(3-methylbutanoylamino)butanamide
CID 78894921
N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(3-methylphenyl)propanamide
CID 88589486
N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(5-methylfuran-2-yl)propanamide
CID 57414509
N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120619810
3-(difluoromethoxy)-N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 78883572
N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-5-methyl-1H-pyrazole-3-carboxamide
CID 78904796
methyl 3-[[2-(3-aminobutanoylamino)-1,3-thiazol-5-yl]methyl]benzoate
CID 119766767
(2S)-N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-3-methyl-2-pyridin-2-ylbutanamide
CID 100728513

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-3-methoxybutanamide?
The IUPAC name of 4-amino-N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-3-methoxybutanamide (CID 120587826) is 4-amino-N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-3-methoxybutanamide.
What is the SMILES notation for 4-amino-N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-3-methoxybutanamide?
The canonical SMILES for 4-amino-N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-3-methoxybutanamide is COC(CN)CC(=O)Nc1ncc(Cc2ccc(F)c(F)c2)s1.
What is the InChIKey of 4-amino-N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-3-methoxybutanamide?
The InChIKey is YQJLCRUIVARISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3O2S/c1-22-10(7-18)6-14(21)20-15-19-8-11(23-15)4-9-2-3-12(16)13(17)5-9/h2-3,5,8,10H,4,6-7,18H2,1H3,(H,19,20,21).
What are the key properties of 4-amino-N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-3-methoxybutanamide?
4-amino-N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-3-methoxybutanamide has a molecular weight of 341.38 g/mol, XLogP of 2.31, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-3-methoxybutanamide is sourced from PubChem (CID 120587826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).